N-[4-[1-[2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]ethyl]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[4-[1-[2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]ethyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[4-[1-[[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide CAS Name: N-[4-[1-[[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]amino]ethyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[1-[[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[4-[1-[[2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)NC(=O)C2CC2)NC(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)NC(=O)C2CC2)NC(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O6/c1-13(14-4-6-16(7-5-14)24-22(29)15-2-3-15)23-20(27)11-25-18-10-17(26(30)31)8-9-19(18)32-12-21(25)28/h4-10,13,15H,2-3,11-12H2,1H3,(H,23,27)(H,24,29)